SCHEMBL9518116

SCHEMBL9518116

O=C(O)CCCNc1cccc(C=Cc2nc3ccccc3s2)c1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
EPHX2 P34913 1/20 0.46
ILK Q13418 1/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 6/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9518105 1.00 ALOX5 (0.46) ALOX5EPHX2ILKHTTSMN1; SMN2
SCHEMBL9514406 0.94 ALOX5 (0.48) ALOX5EPHX2HTTSMN1; SMN2ALOX15
SCHEMBL10720978 0.94 ALOX5 (0.48) ALOX5EPHX2HTTSMN1; SMN2ALOX15
SCHEMBL9518108 0.89 ALOX5 (0.46) ALOX5EPHX2HTTSMN1; SMN2KDM4E
SCHEMBL9518052 0.86 TOP2A (0.49) ALOX5EPHX2HTTSMN1; SMN2KDM4E
SCHEMBL9514857 0.86 TOP2A (0.49) ALOX5EPHX2HTTSMN1; SMN2KDM4E
SCHEMBL9514403 0.84 ALOX5 (0.47) ALOX5EPHX2HTTSMN1; SMN2KDM4E
SCHEMBL9514441 0.83 POLB (0.56) ALOX5EPHX2HTTSMN1; SMN2KDM4E
SCHEMBL9641845 0.83 LMNA (0.44) ALOX5EPHX2ILKHTTSMN1; SMN2
SCHEMBL9514395 0.81 MAPT (0.42) ALOX5EPHX2HTTSMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219436-B1 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI CHEM IND (JP) 1993-12-22 EP disclosed
US-4902700-A Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1990-02-20 US disclosed